CHEBI:58581 - precorrin-8X(7−)

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ChEBI Name precorrin-8X(7−)
ChEBI ID CHEBI:58581
ChEBI ASCII Name precorrin-8X(7-)
Definition Heptaanion of precorrin-8X.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:1943370
Download Molfile XML SDF
Formula C45H53N4O14
Net Charge -7
Average Mass 873.92070
Monoisotopic Mass 873.35967
InChI InChI=1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-7/b39-22-/t21?,25-,26-,27+,40-,41-,42+,43+,44+,45+/m1/s1
InChIKey IGCZFSMEIXUSJY-FKUSVXTQSA-G
SMILES CC1C2=N[C@@](C)(CC3=N\C(=C(C)/C4=N[C@@](C)([C@@H]5N=C1[C@](C)(CCC([O-])=O)[C@H]5CC([O-])=O)[C@@](C)(CC([O-])=O)[C@@H]4CCC([O-])=O)[C@@](C)(CC([O-])=O)[C@@H]3CCC([O-])=O)C(C)=C2CCC([O-])=O
ChEBI Ontology
Outgoing precorrin-8X(7−) (CHEBI:58581) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-8X(7−) (CHEBI:58581) is conjugate base of precorrin-8X (CHEBI:28629)
Incoming precorrin-8X (CHEBI:28629) is conjugate acid of precorrin-8X(7−) (CHEBI:58581)
IUPAC Name
3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,17R,18R,19R)-2,7,18-tris(carboxylatomethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoate
Synonym Source
precorrin-8X UniProt
Last Modified
09 September 2014